3-(2-methylbut-2-enoxy)azetidine

C8H15NO — CID 77483914

IUPAC3-(2-methylbut-2-enoxy)azetidine
SMILESCC=C(C)COC1CNC1
InChIInChI=1S/C8H15NO/c1-3-7(2)6-10-8-4-9-5-8/h3,8-9H,4-6H2,1-2H3
InChIKeyUOBZDWFYHAQSKC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About 3-(2-methylbut-2-enoxy)azetidine

3-(2-methylbut-2-enoxy)azetidine (PubChem CID 77483914) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(2-methylbut-2-enoxy)azetidine.

Molecular Properties

Compound Name3-(2-methylbut-2-enoxy)azetidine
PubChem CID77483914
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(2-methylbut-2-enoxy)azetidine
SMILESCC=C(C)COC1CNC1
InChIInChI=1S/C8H15NO/c1-3-7(2)6-10-8-4-9-5-8/h3,8-9H,4-6H2,1-2H3
InChIKeyUOBZDWFYHAQSKC-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbut-2-enoxy)azetidine?
The IUPAC name of 3-(2-methylbut-2-enoxy)azetidine (CID 77483914) is 3-(2-methylbut-2-enoxy)azetidine.
What is the SMILES notation for 3-(2-methylbut-2-enoxy)azetidine?
The canonical SMILES for 3-(2-methylbut-2-enoxy)azetidine is CC=C(C)COC1CNC1.
What is the InChIKey of 3-(2-methylbut-2-enoxy)azetidine?
The InChIKey is UOBZDWFYHAQSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7(2)6-10-8-4-9-5-8/h3,8-9H,4-6H2,1-2H3.
What are the key properties of 3-(2-methylbut-2-enoxy)azetidine?
3-(2-methylbut-2-enoxy)azetidine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbut-2-enoxy)azetidine is sourced from PubChem (CID 77483914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).